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Public Types | Public Member Functions | Private Member Functions | Static Private Member Functions | Private Attributes | List of all members
protocols::match::upstream::FullChiSampleSet Class Reference

#include <ProteinUpstreamBuilder.hh>

Inheritance diagram for protocols::match::upstream::FullChiSampleSet:
Inheritance graph
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Public Types

typedef core::Size Size
 
typedef core::Real Real
 
typedef
numeric::HomogeneousTransform
< Real
HTReal
 
typedef
core::pack::task::ExtraRotSample 
ExtraRotSample
 
typedef
core::pack::dunbrack::DunbrackRotamerSampleData 
DunbrackRotamerSampleData
 
typedef utility::vector1
< DunbrackRotamerSampleData
DunbrackRotamerSampleDataVector
 

Public Member Functions

 ~FullChiSampleSet () override
 Automatically generated virtual destructor for class deriving directly from VirtualBase. More...
 
 FullChiSampleSet (BuildSet const &build_set, core::pack::dunbrack::DunbrackRotamerSampleData const &sample, bool dry_run)
 
utility::vector1< core::Sizen_samples_per_chi () const
 
core::Size num_chi_samples_total () const
 
utility::vector1< Real > const & chi_samples (core::Size chi) const
 
Real chi_sample (core::Size chi, core::Size sample_id) const
 
HTReal const & frame (core::Size chi, core::Size sample_id) const
 

Private Member Functions

void expand_non_dunbrack_chi (core::Size chi, BuildSet const &build_set)
 
void expand_samples_by_ex_behavior (core::Size chi, ExtraRotSample behavior, core::pack::dunbrack::DunbrackRotamerSampleData const &sample)
 
void expand_samples_by_steps_wi_sdrange (core::Size chi, SampleStrategyData const &stratdat, core::pack::dunbrack::DunbrackRotamerSampleData const &sample)
 
void expand_samples_for_nrchi_wi_nrchi_bin (core::Size chi, SampleStrategyData const &stratdat, core::pack::dunbrack::DunbrackRotamerSampleData const &sample)
 
void create_hts_for_chi (core::Size chi)
 

Static Private Member Functions

static ExtraRotSample ex_level_from_flags (core::Size chi)
 This doesn't belong in this class – move to core. More...
 

Private Attributes

bool const dry_run_
 
core::Size num_chi_samples_total_
 
utility::vector1< core::Sizen_samples_per_chi_
 
utility::vector1
< utility::vector1< Real > > 
chi_samples_
 
utility::vector1
< utility::vector1< HTReal > > 
frames_
 

Member Typedef Documentation

typedef numeric::HomogeneousTransform< Real > protocols::match::upstream::FullChiSampleSet::HTReal

Constructor & Destructor Documentation

protocols::match::upstream::FullChiSampleSet::~FullChiSampleSet ( )
overridedefault

Automatically generated virtual destructor for class deriving directly from VirtualBase.

Auto-generated virtual destructor

protocols::match::upstream::FullChiSampleSet::FullChiSampleSet ( BuildSet const &  build_set,
core::pack::dunbrack::DunbrackRotamerSampleData const &  sample,
bool  dry_run 
)

Member Function Documentation

Real protocols::match::upstream::FullChiSampleSet::chi_sample ( core::Size  chi,
core::Size  sample_id 
) const
inline
utility::vector1< Real > const& protocols::match::upstream::FullChiSampleSet::chi_samples ( core::Size  chi) const
inline

References chi_samples_, and dry_run_.

void protocols::match::upstream::FullChiSampleSet::create_hts_for_chi ( core::Size  chi)
private
FullChiSampleSet::ExtraRotSample protocols::match::upstream::FullChiSampleSet::ex_level_from_flags ( core::Size  chi)
staticprivate

This doesn't belong in this class – move to core.

References core::pack::task::EX_ONE_STDDEV, and core::pack::task::NO_EXTRA_CHI_SAMPLES.

Referenced by expand_non_dunbrack_chi(), and FullChiSampleSet().

void protocols::match::upstream::FullChiSampleSet::expand_non_dunbrack_chi ( core::Size  chi,
BuildSet const &  build_set 
)
private
void protocols::match::upstream::FullChiSampleSet::expand_samples_by_ex_behavior ( core::Size  chi,
ExtraRotSample  behavior,
core::pack::dunbrack::DunbrackRotamerSampleData const &  sample 
)
private
void protocols::match::upstream::FullChiSampleSet::expand_samples_by_steps_wi_sdrange ( core::Size  chi,
SampleStrategyData const &  stratdat,
core::pack::dunbrack::DunbrackRotamerSampleData const &  sample 
)
private
void protocols::match::upstream::FullChiSampleSet::expand_samples_for_nrchi_wi_nrchi_bin ( core::Size  chi,
SampleStrategyData const &  stratdat,
core::pack::dunbrack::DunbrackRotamerSampleData const &  sample 
)
private
HTReal const& protocols::match::upstream::FullChiSampleSet::frame ( core::Size  chi,
core::Size  sample_id 
) const
inline
utility::vector1< core::Size > protocols::match::upstream::FullChiSampleSet::n_samples_per_chi ( ) const
inline
core::Size protocols::match::upstream::FullChiSampleSet::num_chi_samples_total ( ) const
inline

Member Data Documentation

utility::vector1< utility::vector1< Real > > protocols::match::upstream::FullChiSampleSet::chi_samples_
private
bool const protocols::match::upstream::FullChiSampleSet::dry_run_
private
utility::vector1< utility::vector1< HTReal > > protocols::match::upstream::FullChiSampleSet::frames_
private
utility::vector1< core::Size > protocols::match::upstream::FullChiSampleSet::n_samples_per_chi_
private
core::Size protocols::match::upstream::FullChiSampleSet::num_chi_samples_total_
private

The documentation for this class was generated from the following files: